(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone

C20H18FN3O3 — CID 75615785

IUPAC(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2nnc(C3CCN(C(=O)c4ccc(F)cc4)C3)o2)cc1
InChIInChI=1S/C20H18FN3O3/c1-26-17-8-4-13(5-9-17)18-22-23-19(27-18)15-10-11-24(12-15)20(25)14-2-6-16(21)7-3-14/h2-9,15H,10-12H2,1H3
InChIKeyCSMMKBFPQAKAFE-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.51
Rot. Bonds4

About (4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone

(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 75615785) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
PubChem CID75615785
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2nnc(C3CCN(C(=O)c4ccc(F)cc4)C3)o2)cc1
InChIInChI=1S/C20H18FN3O3/c1-26-17-8-4-13(5-9-17)18-22-23-19(27-18)15-10-11-24(12-15)20(25)14-2-6-16(21)7-3-14/h2-9,15H,10-12H2,1H3
InChIKeyCSMMKBFPQAKAFE-UHFFFAOYSA-N
XLogP3.51
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069342
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 121069339
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 121069343
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 121069334
(4-fluorophenyl)-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 132654703
(3,4-dimethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069346
(4-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99963299
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 121069773
[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 99963249
[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 90543078
1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 99963903
[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51696605

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (CID 75615785) is (4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is COc1ccc(-c2nnc(C3CCN(C(=O)c4ccc(F)cc4)C3)o2)cc1.
What is the InChIKey of (4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is CSMMKBFPQAKAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-26-17-8-4-13(5-9-17)18-22-23-19(27-18)15-10-11-24(12-15)20(25)14-2-6-16(21)7-3-14/h2-9,15H,10-12H2,1H3.
What are the key properties of (4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 367.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 75615785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).